Crystallography Open Database

Information card for entry 4117961

Preview

Coordinates	4117961.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42.88 H35.5 Eu F3 N6 O10.88 S
Calculated formula	C42.875 H35.5 Eu F3 N6 O10.875 S
Title of publication	Metal-Controlled Diastereoselective Self-Assembly and Circularly Polarized Luminescence of a Chiral Heptanuclear Europium Wheel
Authors of publication	Gülay Bozoklu; Christelle Gateau; Daniel Imbert; Jacques Pécaut; Koen Robeyns; Yaroslav Filinchuk; Farah Memon; Gilles Muller; Marinella Mazzanti
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	8372 - 8375
a	17.3261 ± 0.0002 Å
b	32.2069 ± 0.0003 Å
c	32.3667 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	18061.3 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0969
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.0833
Goodness-of-fit parameter for all reflections included in the refinement	0.776
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4117961.cif
75104	2013-03-07	cif/ Adding structures of 4117961 via cif-deposit CGI script.	4117961.cif